Mol:LBF18303HP01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.9281 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6371 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1133 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2883 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7688 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0417 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5160 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 0.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1911 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1911 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1911 -2.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 1.5306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8521 2.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1383 2.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1133 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7688 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0417 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 20 1 0 0 0 0
3 4 1 0 0 0 0
4 21 1 0 0 0 0
5 22 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
7 16 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
6 17 1 0 0 0 0
17 10 1 4 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 2 0 0 0 0
5 21 2 0 0 0 0
6 22 2 0 0 0 0
S SKP 5
ID LBF18303HP01
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES CCC=CCC=CC=CC(OO)CCCCCCCC(O)=O
M END
</pre>
